6-oxo-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]-4,5-dihydro-1H-pyridazine-3-carboxamide

C13H20N4O3 — CID 131892522

IUPAC6-oxo-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESO=C1CCC(C(=O)N[C@H]2COC[C@@H]2N2CCCC2)=NN1
InChIInChI=1S/C13H20N4O3/c18-12-4-3-9(15-16-12)13(19)14-10-7-20-8-11(10)17-5-1-2-6-17/h10-11H,1-8H2,(H,14,19)(H,16,18)/t10-,11-/m0/s1
InChIKeyXMEBRGADDGGSSU-QWRGUYRKSA-N
MW280.33 g/mol
LogP-0.77
Rot. Bonds3

About 6-oxo-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]-4,5-dihydro-1H-pyridazine-3-carboxamide

6-oxo-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]-4,5-dihydro-1H-pyridazine-3-carboxamide (PubChem CID 131892522) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is 6-oxo-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]-4,5-dihydro-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]-4,5-dihydro-1H-pyridazine-3-carboxamide
PubChem CID131892522
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC Name6-oxo-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESO=C1CCC(C(=O)N[C@H]2COC[C@@H]2N2CCCC2)=NN1
InChIInChI=1S/C13H20N4O3/c18-12-4-3-9(15-16-12)13(19)14-10-7-20-8-11(10)17-5-1-2-6-17/h10-11H,1-8H2,(H,14,19)(H,16,18)/t10-,11-/m0/s1
InChIKeyXMEBRGADDGGSSU-QWRGUYRKSA-N
XLogP-0.77
TPSA83.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 5-0.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-oxo-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]-4,5-dihydro-1H-pyridazine-3-carboxamide with MolForge

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Related Compounds

N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 91829063
2,4-dimethyl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]-1,3-oxazole-5-carboxamide
CID 122565102
6-oxo-N-[(3S,4S)-4-piperidin-1-yloxolan-3-yl]-1H-pyridine-3-carboxamide
CID 133260544
5-methyl-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]-1,2-oxazole-3-carboxamide
CID 122556576
5-methyl-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]-1,3-oxazole-4-carboxamide
CID 122559298
N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]piperidine-4-carboxamide
CID 122557604
formic acid;1-methyl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]imidazole-2-carboxamide
CID 154911071
5-acetyl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]thiophene-2-carboxamide
CID 91789169
5-propyl-N-[(3S,4S)-4-pyrrolidin-1-yloxolan-3-yl]-1H-pyrazole-3-carboxamide
CID 133114357
2-amino-6-methyl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]pyrimidine-4-carboxamide
CID 118778494
2-(2,4-dioxoimidazolidin-1-yl)-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]acetamide;formic acid
CID 154907499
5-acetyl-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]thiophene-2-carboxamide
CID 118790643

Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]-4,5-dihydro-1H-pyridazine-3-carboxamide?
The IUPAC name of 6-oxo-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]-4,5-dihydro-1H-pyridazine-3-carboxamide (CID 131892522) is 6-oxo-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]-4,5-dihydro-1H-pyridazine-3-carboxamide.
What is the SMILES notation for 6-oxo-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]-4,5-dihydro-1H-pyridazine-3-carboxamide?
The canonical SMILES for 6-oxo-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]-4,5-dihydro-1H-pyridazine-3-carboxamide is O=C1CCC(C(=O)N[C@H]2COC[C@@H]2N2CCCC2)=NN1.
What is the InChIKey of 6-oxo-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]-4,5-dihydro-1H-pyridazine-3-carboxamide?
The InChIKey is XMEBRGADDGGSSU-QWRGUYRKSA-N. The full InChI is InChI=1S/C13H20N4O3/c18-12-4-3-9(15-16-12)13(19)14-10-7-20-8-11(10)17-5-1-2-6-17/h10-11H,1-8H2,(H,14,19)(H,16,18)/t10-,11-/m0/s1.
What are the key properties of 6-oxo-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]-4,5-dihydro-1H-pyridazine-3-carboxamide?
6-oxo-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]-4,5-dihydro-1H-pyridazine-3-carboxamide has a molecular weight of 280.33 g/mol, XLogP of -0.77, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]-4,5-dihydro-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 131892522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).